9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide

C153H99Cu4N11OPS2-11 — CID 157143515

About 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide

9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide (PubChem CID 157143515) has the molecular formula C153H99Cu4N11OPS2-11 and a molecular weight of 2456.84 g/mol. Its IUPAC name is 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide.

Molecular Properties

• Compound Name: 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide
• PubChem CID: 157143515
• Molecular Formula: C153H99Cu4N11OPS2-11
• Molecular Weight: 2456.84 g/mol
• Exact Mass: 2452.45
• IUPAC Name: 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide
• SMILES: CN1c2ccc(-c3cn(C)c4c3[cH-]c[n+]4C)[c-]c2N(c2[c-]c3c(cc2)Sc2ccccc2C3[PH+](c2ccccc2)c2ccccc2)c2ccccc21.Cc1cc(C)n(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]cccc2)n1.[Cu].[Cu].[Cu].[Cu].[c-]1ccccc1-c1[c-]c(N2c3[c-]c4c(-c5ccccn5)cccc4cc3Oc3ccccc32)ccc1.[c-]1ccccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c2c(cc1)-c1ccccc1C2c1[c-]sc2ccccc12
• InChI: InChI=1S/C46H35N4PS.C39H21NS.C35H23N4.C33H19N2O.4Cu/c1-47-27-26-35-38(30-48(2)46(35)47)31-22-24-40-42(28-31)50(41-20-12-11-19-39(41)49(40)3)32-23-25-44-37(29-32)45(36-18-10-13-21-43(36)52-44)51(33-14-6-4-7-15-33)34-16-8-5-9-17-34;1-2-10-25(11-3-1)26-18-20-31-30-13-6-8-16-36(30)40(37(31)22-26)27-19-21-29-28-12-4-5-15-33(28)39(34(29)23-27)35-24-41-38-17-9-7-14-32(35)38;1-23-20-24(2)39(36-23)27-17-19-31-29-13-7-9-15-33(29)38(35(31)22-27)26-16-18-30-28-12-6-8-14-32(28)37(34(30)21-26)25-10-4-3-5-11-25;1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-30-17-4-5-18-32(30)36-33-21-25-13-9-15-27(28(25)22-31(33)35)29-16-6-7-19-34-29;;;;/h4-27,30,45H,1-3H3;1-10,12-21,39H;3-10,12-20H,1-2H3;1-10,12-19,21H;;;;/q-2;-4;2*-3;;;;/p+1
• InChIKey: SLRFRJXGALCYGQ-UHFFFAOYSA-O
• XLogP: 36.60
• TPSA: 73.26 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.84
LogP ≤ 5	36.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide?

The IUPAC name of 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide (CID 157143515) is 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide.

What is the SMILES notation for 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide?

The canonical SMILES for 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide is CN1c2ccc(-c3cn(C)c4c3[cH-]c[n+]4C)[c-]c2N(c2[c-]c3c(cc2)Sc2ccccc2C3[PH+](c2ccccc2)c2ccccc2)c2ccccc21.Cc1cc(C)n(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]cccc2)n1.[Cu].[Cu].[Cu].[Cu].[c-]1ccccc1-c1[c-]c(N2c3[c-]c4c(-c5ccccn5)cccc4cc3Oc3ccccc32)ccc1.[c-]1ccccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c2c(cc1)-c1ccccc1C2c1[c-]sc2ccccc12.

What is the InChIKey of 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide?

The InChIKey is SLRFRJXGALCYGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C46H35N4PS.C39H21NS.C35H23N4.C33H19N2O.4Cu/c1-47-27-26-35-38(30-48(2)46(35)47)31-22-24-40-42(28-31)50(41-20-12-11-19-39(41)49(40)3)32-23-25-44-37(29-32)45(36-18-10-13-21-43(36)52-44)51(33-14-6-4-7-15-33)34-16-8-5-9-17-34;1-2-10-25(11-3-1)26-18-20-31-30-13-6-8-16-36(30)40(37(31)22-26)27-19-21-29-28-12-4-5-15-33(28)39(34(29)23-27)35-24-41-38-17-9-7-14-32(35)38;1-23-20-24(2)39(36-23)27-17-19-31-29-13-7-9-15-33(29)38(35(31)22-27)26-16-18-30-28-12-6-8-14-32(28)37(34(30)21-26)25-10-4-3-5-11-25;1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-30-17-4-5-18-32(30)36-33-21-25-13-9-15-27(28(25)22-31(33)35)29-16-6-7-19-34-29;;;;/h4-27,30,45H,1-3H3;1-10,12-21,39H;3-10,12-20H,1-2H3;1-10,12-19,21H;;;;/q-2;-4;2*-3;;;;/p+1.

What are the key properties of 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide?

9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide has a molecular weight of 2456.84 g/mol, XLogP of 36.60, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-(2H-1-benzothiophen-2-id-3-yl)-1,9-dihydrofluoren-1-id-2-yl]-2-phenyl-1H-carbazol-1-ide;copper;2-(3,5-dimethylpyrazol-1-yl)-9-(9-phenyl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;[2-[3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-10-methyl-4H-phenazin-4-id-5-yl]-1,9-dihydrothioxanthen-1-id-9-yl]-diphenylphosphanium;12-(3-phenylbenzene-2-id-1-yl)-10-pyridin-2-yl-11H-benzo[b]phenoxazin-11-ide is sourced from PubChem (CID 157143515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).